6-nitro-1-oxidanylidene-2-(phenylmethyl)-1,2-benzothiazol-3-one

Systemtic Name: 6-nitro-1-oxidanylidene-2-(phenylmethyl)-1,2-benzothiazol-3-one Openeye Name: 2-benzyl-6-nitro-1-oxo-1,2-benzothiazol-3-one CAS Name: 6-nitro-1-oxo-2-(phenylmethyl)-1,2-benzothiazol-3-one IUPAC Name: 2-benzyl-6-nitro-1-oxo-1,2-benzothiazol-3-one Traditional Name: 2-benzyl-1-keto-6-nitro-1,2-benzothiazol-3-one Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(S2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(S2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O4S/c17-14-12-7-6-11(16(18)19)8-13(12)21(20)15(14)9-10-4-2-1-3-5-10/h1-8H,9H2